Information card for entry 4125855

Structure parameters

• Formula: C18 H25 N O4
• Calculated formula: C18 H25 N O4
• SMILES: O1N2CCC[C@@]34[C@@]5([C@H]1CC2)C(=O)C[C@@H]3C[C@H](C5)CC14OCCO1.O1N2CCC[C@]34[C@]5([C@@H]1CC2)C(=O)C[C@H]3C[C@@H](C5)CC14OCCO1
• Title of publication: Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.
• Authors of publication: Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 12
• Pages of publication: 4282 - 4285
• a: 8.3782 ± 0.0007 Å
• b: 22.5803 ± 0.0016 Å
• c: 8.7664 ± 0.0007 Å
• α: 90°
• β: 111.944 ± 0.009°
• γ: 90°
• Cell volume: 1538.3 ± 0.2 ų
• Cell temperature: 297.72 ± 0.16 K
• Ambient diffraction temperature: 297.72 ± 0.16 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No